Compile Data Set for Download or QSAR

Found 64 hits Enz. Inhib. hit(s) with all data for entry = 50049101   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50234449 (CHEMBL4078596) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=O)N(CCc1ccc(cc1)S(N)(=O)=O)C2=O |r,c:3| Show InChI InChI=1S/C16H18N2O4S/c17-23(21,22)12-7-5-11(6-8-12)9-10-18-15(19)13-3-1-2-4-14(13)16(18)20/h1-2,5-8,13-14H,3-4,9-10H2,(H2,17,21,22)/t13-,14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50234452 (CHEMBL4066940) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl |t:22,TLB:22:21:25:14.13,THB:20:19:25:14.13,15:14:25:21.19| Show InChI InChI=1S/C15H8Cl6N2O4S/c16-9-10(17)14(19)8-7(13(9,18)15(14,20)21)11(24)23(12(8)25)5-1-3-6(4-2-5)28(22,26)27/h1-4,7-8H,(H2,22,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50234448 (CHEMBL4079688) Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)C3C(C2=O)C2(Cl)C(Cl)=C(Cl)C3(Cl)C2(Cl)Cl)cc1 |t:20,TLB:21:20:24:13.12,THB:19:18:24:13.12,14:13:24:20.18| Show InChI InChI=1S/C16H10Cl6N2O4S/c17-10-11(18)15(20)9-8(14(10,19)16(15,21)22)12(25)24(13(9)26)5-6-1-3-7(4-2-6)29(23,27)28/h1-4,8-9H,5H2,(H2,23,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50234451 (CHEMBL4103944) Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)C3C(C2=O)C2(Cl)C(Cl)=C(Cl)C3(Cl)C2(Cl)Cl)cc1 |t:21,TLB:22:21:25:14.13,THB:20:19:25:14.13,15:14:25:21.19| Show InChI InChI=1S/C17H12Cl6N2O4S/c18-11-12(19)16(21)10-9(15(11,20)17(16,22)23)13(26)25(14(10)27)6-5-7-1-3-8(4-2-7)30(24,28)29/h1-4,9-10H,5-6H2,(H2,24,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50234452 (CHEMBL4066940) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl |t:22,TLB:22:21:25:14.13,THB:20:19:25:14.13,15:14:25:21.19| Show InChI InChI=1S/C15H8Cl6N2O4S/c16-9-10(17)14(19)8-7(13(9,18)15(14,20)21)11(24)23(12(8)25)5-1-3-6(4-2-5)28(22,26)27/h1-4,7-8H,(H2,22,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50234449 (CHEMBL4078596) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=O)N(CCc1ccc(cc1)S(N)(=O)=O)C2=O |r,c:3| Show InChI InChI=1S/C16H18N2O4S/c17-23(21,22)12-7-5-11(6-8-12)9-10-18-15(19)13-3-1-2-4-14(13)16(18)20/h1-2,5-8,13-14H,3-4,9-10H2,(H2,17,21,22)/t13-,14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50234458 (CHEMBL4101260) Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3ccccc3C2=O)cc1 Show InChI InChI=1S/C16H14N2O4S/c17-23(21,22)12-7-5-11(6-8-12)9-10-18-15(19)13-3-1-2-4-14(13)16(18)20/h1-8H,9-10H2,(H2,17,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50234448 (CHEMBL4079688) Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)C3C(C2=O)C2(Cl)C(Cl)=C(Cl)C3(Cl)C2(Cl)Cl)cc1 |t:20,TLB:21:20:24:13.12,THB:19:18:24:13.12,14:13:24:20.18| Show InChI InChI=1S/C16H10Cl6N2O4S/c17-10-11(18)15(20)9-8(14(10,19)16(15,21)22)12(25)24(13(9)26)5-6-1-3-7(4-2-6)29(23,27)28/h1-4,8-9H,5H2,(H2,23,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50234457 (CHEMBL4091049) Show SMILES Cc1ccc2C(=O)N(CCc3ccc(cc3)S(N)(=O)=O)C(=O)c2c1 Show InChI InChI=1S/C17H16N2O4S/c1-11-2-7-14-15(10-11)17(21)19(16(14)20)9-8-12-3-5-13(6-4-12)24(18,22)23/h2-7,10H,8-9H2,1H3,(H2,18,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50234455 (CHEMBL2414438) Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3c(C2=O)c(Cl)c(Cl)c(Cl)c3Cl)cc1 Show InChI InChI=1S/C16H10Cl4N2O4S/c17-11-9-10(12(18)14(20)13(11)19)16(24)22(15(9)23)6-5-7-1-3-8(4-2-7)27(21,25)26/h1-4H,5-6H2,(H2,21,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 4 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50234450 (CHEMBL1905680) Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)CCC2=O)cc1 Show InChI InChI=1S/C12H14N2O4S/c13-19(17,18)10-3-1-9(2-4-10)7-8-14-11(15)5-6-12(14)16/h1-4H,5-8H2,(H2,13,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50234456 (CHEMBL4064210) Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 Show InChI InChI=1S/C16H12Cl2N2O4S/c17-13-7-11-12(8-14(13)18)16(22)20(15(11)21)6-5-9-1-3-10(4-2-9)25(19,23)24/h1-4,7-8H,5-6H2,(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50234452 (CHEMBL4066940) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl |t:22,TLB:22:21:25:14.13,THB:20:19:25:14.13,15:14:25:21.19| Show InChI InChI=1S/C15H8Cl6N2O4S/c16-9-10(17)14(19)8-7(13(9,18)15(14,20)21)11(24)23(12(8)25)5-1-3-6(4-2-5)28(22,26)27/h1-4,7-8H,(H2,22,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 4 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50234460 (CHEMBL4096617) Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)C=CC2=O)cc1 |c:13| Show InChI InChI=1S/C12H12N2O4S/c13-19(17,18)10-3-1-9(2-4-10)7-8-14-11(15)5-6-12(14)16/h1-6H,7-8H2,(H2,13,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50234453 (CHEMBL4080077) Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3cccc(c3C2=O)[N+]([O-])=O)cc1 Show InChI InChI=1S/C16H13N3O6S/c17-26(24,25)11-6-4-10(5-7-11)8-9-18-15(20)12-2-1-3-13(19(22)23)14(12)16(18)21/h1-7H,8-9H2,(H2,17,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50234461 (CHEMBL4063164) Show SMILES CC(C)(C)c1ccc2C(=O)N(CCc3ccc(cc3)S(N)(=O)=O)C(=O)c2c1 Show InChI InChI=1S/C20H22N2O4S/c1-20(2,3)14-6-9-16-17(12-14)19(24)22(18(16)23)11-10-13-4-7-15(8-5-13)27(21,25)26/h4-9,12H,10-11H2,1-3H3,(H2,21,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50234461 (CHEMBL4063164) Show SMILES CC(C)(C)c1ccc2C(=O)N(CCc3ccc(cc3)S(N)(=O)=O)C(=O)c2c1 Show InChI InChI=1S/C20H22N2O4S/c1-20(2,3)14-6-9-16-17(12-14)19(24)22(18(16)23)11-10-13-4-7-15(8-5-13)27(21,25)26/h4-9,12H,10-11H2,1-3H3,(H2,21,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50234451 (CHEMBL4103944) Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)C3C(C2=O)C2(Cl)C(Cl)=C(Cl)C3(Cl)C2(Cl)Cl)cc1 |t:21,TLB:22:21:25:14.13,THB:20:19:25:14.13,15:14:25:21.19| Show InChI InChI=1S/C17H12Cl6N2O4S/c18-11-12(19)16(21)10-9(15(11,20)17(16,22)23)13(26)25(14(10)27)6-5-7-1-3-8(4-2-7)30(24,28)29/h1-4,9-10H,5-6H2,(H2,24,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	114	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50234462 (CHEMBL3113927) Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3ccc(cc3C2=O)[N+]([O-])=O)cc1 Show InChI InChI=1S/C16H13N3O6S/c17-26(24,25)12-4-1-10(2-5-12)7-8-18-15(20)13-6-3-11(19(22)23)9-14(13)16(18)21/h1-6,9H,7-8H2,(H2,17,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50234453 (CHEMBL4080077) Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3cccc(c3C2=O)[N+]([O-])=O)cc1 Show InChI InChI=1S/C16H13N3O6S/c17-26(24,25)11-6-4-10(5-7-11)8-9-18-15(20)12-2-1-3-13(19(22)23)14(12)16(18)21/h1-7H,8-9H2,(H2,17,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	179	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50234448 (CHEMBL4079688) Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)C3C(C2=O)C2(Cl)C(Cl)=C(Cl)C3(Cl)C2(Cl)Cl)cc1 |t:20,TLB:21:20:24:13.12,THB:19:18:24:13.12,14:13:24:20.18| Show InChI InChI=1S/C16H10Cl6N2O4S/c17-10-11(18)15(20)9-8(14(10,19)16(15,21)22)12(25)24(13(9)26)5-6-1-3-7(4-2-6)29(23,27)28/h1-4,8-9H,5H2,(H2,23,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	201	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50234460 (CHEMBL4096617) Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)C=CC2=O)cc1 |c:13| Show InChI InChI=1S/C12H12N2O4S/c13-19(17,18)10-3-1-9(2-4-10)7-8-14-11(15)5-6-12(14)16/h1-6H,7-8H2,(H2,13,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	274	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50234455 (CHEMBL2414438) Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3c(C2=O)c(Cl)c(Cl)c(Cl)c3Cl)cc1 Show InChI InChI=1S/C16H10Cl4N2O4S/c17-11-9-10(12(18)14(20)13(11)19)16(24)22(15(9)23)6-5-7-1-3-8(4-2-7)27(21,25)26/h1-4H,5-6H2,(H2,21,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	284	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50234458 (CHEMBL4101260) Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3ccccc3C2=O)cc1 Show InChI InChI=1S/C16H14N2O4S/c17-23(21,22)12-7-5-11(6-8-12)9-10-18-15(19)13-3-1-2-4-14(13)16(18)20/h1-8H,9-10H2,(H2,17,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	296	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50234450 (CHEMBL1905680) Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)CCC2=O)cc1 Show InChI InChI=1S/C12H14N2O4S/c13-19(17,18)10-3-1-9(2-4-10)7-8-14-11(15)5-6-12(14)16/h1-4H,5-8H2,(H2,13,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	296	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50234449 (CHEMBL4078596) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=O)N(CCc1ccc(cc1)S(N)(=O)=O)C2=O |r,c:3| Show InChI InChI=1S/C16H18N2O4S/c17-23(21,22)12-7-5-11(6-8-12)9-10-18-15(19)13-3-1-2-4-14(13)16(18)20/h1-2,5-8,13-14H,3-4,9-10H2,(H2,17,21,22)/t13-,14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	296	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50234457 (CHEMBL4091049) Show SMILES Cc1ccc2C(=O)N(CCc3ccc(cc3)S(N)(=O)=O)C(=O)c2c1 Show InChI InChI=1S/C17H16N2O4S/c1-11-2-7-14-15(10-11)17(21)19(16(14)20)9-8-12-3-5-13(6-4-12)24(18,22)23/h2-7,10H,8-9H2,1H3,(H2,18,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50234452 (CHEMBL4066940) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl |t:22,TLB:22:21:25:14.13,THB:20:19:25:14.13,15:14:25:21.19| Show InChI InChI=1S/C15H8Cl6N2O4S/c16-9-10(17)14(19)8-7(13(9,18)15(14,20)21)11(24)23(12(8)25)5-1-3-6(4-2-5)28(22,26)27/h1-4,7-8H,(H2,22,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50234457 (CHEMBL4091049) Show SMILES Cc1ccc2C(=O)N(CCc3ccc(cc3)S(N)(=O)=O)C(=O)c2c1 Show InChI InChI=1S/C17H16N2O4S/c1-11-2-7-14-15(10-11)17(21)19(16(14)20)9-8-12-3-5-13(6-4-12)24(18,22)23/h2-7,10H,8-9H2,1H3,(H2,18,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	425	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50234459 (CHEMBL4083255) Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3nccnc3C2=O)cc1 Show InChI InChI=1S/C14H12N4O4S/c15-23(21,22)10-3-1-9(2-4-10)5-8-18-13(19)11-12(14(18)20)17-7-6-16-11/h1-4,6-7H,5,8H2,(H2,15,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	426	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50234456 (CHEMBL4064210) Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 Show InChI InChI=1S/C16H12Cl2N2O4S/c17-13-7-11-12(8-14(13)18)16(22)20(15(11)21)6-5-9-1-3-10(4-2-9)25(19,23)24/h1-4,7-8H,5-6H2,(H2,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	428	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50234456 (CHEMBL4064210) Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 Show InChI InChI=1S/C16H12Cl2N2O4S/c17-13-7-11-12(8-14(13)18)16(22)20(15(11)21)6-5-9-1-3-10(4-2-9)25(19,23)24/h1-4,7-8H,5-6H2,(H2,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	435	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50234459 (CHEMBL4083255) Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3nccnc3C2=O)cc1 Show InChI InChI=1S/C14H12N4O4S/c15-23(21,22)10-3-1-9(2-4-10)5-8-18-13(19)11-12(14(18)20)17-7-6-16-11/h1-4,6-7H,5,8H2,(H2,15,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	441	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50234450 (CHEMBL1905680) Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)CCC2=O)cc1 Show InChI InChI=1S/C12H14N2O4S/c13-19(17,18)10-3-1-9(2-4-10)7-8-14-11(15)5-6-12(14)16/h1-4H,5-8H2,(H2,13,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	446	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50234461 (CHEMBL4063164) Show SMILES CC(C)(C)c1ccc2C(=O)N(CCc3ccc(cc3)S(N)(=O)=O)C(=O)c2c1 Show InChI InChI=1S/C20H22N2O4S/c1-20(2,3)14-6-9-16-17(12-14)19(24)22(18(16)23)11-10-13-4-7-15(8-5-13)27(21,25)26/h4-9,12H,10-11H2,1-3H3,(H2,21,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	459	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50234451 (CHEMBL4103944) Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)C3C(C2=O)C2(Cl)C(Cl)=C(Cl)C3(Cl)C2(Cl)Cl)cc1 |t:21,TLB:22:21:25:14.13,THB:20:19:25:14.13,15:14:25:21.19| Show InChI InChI=1S/C17H12Cl6N2O4S/c18-11-12(19)16(21)10-9(15(11,20)17(16,22)23)13(26)25(14(10)27)6-5-7-1-3-8(4-2-7)30(24,28)29/h1-4,9-10H,5-6H2,(H2,24,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	484	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50234458 (CHEMBL4101260) Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3ccccc3C2=O)cc1 Show InChI InChI=1S/C16H14N2O4S/c17-23(21,22)12-7-5-11(6-8-12)9-10-18-15(19)13-3-1-2-4-14(13)16(18)20/h1-8H,9-10H2,(H2,17,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	491	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50234455 (CHEMBL2414438) Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3c(C2=O)c(Cl)c(Cl)c(Cl)c3Cl)cc1 Show InChI InChI=1S/C16H10Cl4N2O4S/c17-11-9-10(12(18)14(20)13(11)19)16(24)22(15(9)23)6-5-7-1-3-8(4-2-7)27(21,25)26/h1-4H,5-6H2,(H2,21,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	562	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50234460 (CHEMBL4096617) Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)C=CC2=O)cc1 |c:13| Show InChI InChI=1S/C12H12N2O4S/c13-19(17,18)10-3-1-9(2-4-10)7-8-14-11(15)5-6-12(14)16/h1-6H,7-8H2,(H2,13,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	617	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50234454 (CHEMBL2424832) Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3c(C2=O)c(Br)c(Br)c(Br)c3Br)cc1 Show InChI InChI=1S/C16H10Br4N2O4S/c17-11-9-10(12(18)14(20)13(11)19)16(24)22(15(9)23)6-5-7-1-3-8(4-2-7)27(21,25)26/h1-4H,5-6H2,(H2,21,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	693	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50234462 (CHEMBL3113927) Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3ccc(cc3C2=O)[N+]([O-])=O)cc1 Show InChI InChI=1S/C16H13N3O6S/c17-26(24,25)12-4-1-10(2-5-12)7-8-18-15(20)13-6-3-11(19(22)23)9-14(13)16(18)21/h1-6,9H,7-8H2,(H2,17,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	865	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50234448 (CHEMBL4079688) Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)C3C(C2=O)C2(Cl)C(Cl)=C(Cl)C3(Cl)C2(Cl)Cl)cc1 |t:20,TLB:21:20:24:13.12,THB:19:18:24:13.12,14:13:24:20.18| Show InChI InChI=1S/C16H10Cl6N2O4S/c17-10-11(18)15(20)9-8(14(10,19)16(15,21)22)12(25)24(13(9)26)5-6-1-3-7(4-2-6)29(23,27)28/h1-4,8-9H,5H2,(H2,23,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	912	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 4 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50234449 (CHEMBL4078596) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=O)N(CCc1ccc(cc1)S(N)(=O)=O)C2=O |r,c:3| Show InChI InChI=1S/C16H18N2O4S/c17-23(21,22)12-7-5-11(6-8-12)9-10-18-15(19)13-3-1-2-4-14(13)16(18)20/h1-2,5-8,13-14H,3-4,9-10H2,(H2,17,21,22)/t13-,14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	973	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 4 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50234462 (CHEMBL3113927) Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3ccc(cc3C2=O)[N+]([O-])=O)cc1 Show InChI InChI=1S/C16H13N3O6S/c17-26(24,25)12-4-1-10(2-5-12)7-8-18-15(20)13-6-3-11(19(22)23)9-14(13)16(18)21/h1-6,9H,7-8H2,(H2,17,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.64E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50234454 (CHEMBL2424832) Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3c(C2=O)c(Br)c(Br)c(Br)c3Br)cc1 Show InChI InChI=1S/C16H10Br4N2O4S/c17-11-9-10(12(18)14(20)13(11)19)16(24)22(15(9)23)6-5-7-1-3-8(4-2-7)27(21,25)26/h1-4H,5-6H2,(H2,21,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.39E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50234453 (CHEMBL4080077) Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3cccc(c3C2=O)[N+]([O-])=O)cc1 Show InChI InChI=1S/C16H13N3O6S/c17-26(24,25)11-6-4-10(5-7-11)8-9-18-15(20)12-2-1-3-13(19(22)23)14(12)16(18)21/h1-7H,8-9H2,(H2,17,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) Article DOI: 10.1016/j.bmc.2017.01.032 BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair

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